SCHEMBL13630561

SCHEMBL13630561

Cc1cc(C)cc(N2CCN(CC[C@H]3CC[C@H](NC(=O)CCC#N)CC3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 12/20 0.55
DRD2 P14416 11/20 0.55
HTR2A P28223 5/20 0.51
HTR1A P08908 2/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4498733 1.00 DRD3 (0.55) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL4486129 0.94 DRD3 (0.54) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL13630109 0.94 DRD3 (0.54) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL13629994 0.90 DRD3 (0.58) DRD3DRD2HTR2A
SCHEMBL13630183 0.90 DRD3 (0.58) DRD3DRD2HTR2A
SCHEMBL4495655 0.90 DRD3 (0.58) DRD3DRD2HTR2A
SCHEMBL13630284 0.89 DRD3 (0.51) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL4476557 0.89 DRD3 (0.51) DRD3DRD2HTR2AHTR1ADRD1
SCHEMBL13630582 0.88 DRD3 (0.52) DRD3DRD2HTR2AHTR1ADRD4
SCHEMBL4491034 0.88 DRD3 (0.52) DRD3DRD2HTR2AHTR1ADRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US disclosed
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS DRD3, TACR2, TACR1 DRD3 1/4885DRD2 4/4885HTR2A 225/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.